USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 MET CE :methyl -179:sc= -2.54! (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= -2.96! C(o=-5.5!,f=-1.9!) USER MOD Set 2.1: A 16 ASN : amide:sc= 0.107 K(o=0.32,f=-1.1) USER MOD Set 2.2: A 85 LYS NZ :NH3+ -148:sc= 0.214 (180deg=0) USER MOD Set 3.1: A 11 THR OG1 : rot 159:sc= 0.149 USER MOD Set 3.2: A 40 ASN : amide:sc= -0.768 K(o=-0.47,f=-3.5!) USER MOD Set 3.3: A 59 GLN : amide:sc= 0.15 K(o=-0.47,f=-1.2) USER MOD Single : A 1 MET CE :methyl -146:sc= -0.12 (180deg=-1.39) USER MOD Single : A 1 MET N :NH3+ 170:sc= -1.18 (180deg=-1.38!) USER MOD Single : A 3 HIS : no HD1:sc= -0.61 K(o=-0.61,f=-1.3) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.48) USER MOD Single : A 6 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.12 K(o=-0.12,f=-0.69) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 21 THR OG1 : rot -110:sc= -2.08! USER MOD Single : A 25 SER OG : rot 180:sc= -0.097 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.481 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= -0.316 (180deg=-1.45!) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.027 (180deg=-0.269) USER MOD Single : A 48 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -4.73! K(o=-4.7!,f=-0.6) USER MOD Single : A 51 GLN : amide:sc= -5.93! C(o=-5.9!,f=-8.5!) USER MOD Single : A 52 ASN : amide:sc= -3.93 K(o=-3.9,f=-10!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.61 K(o=-3.6,f=-5.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3!) USER MOD Single : A 81 LYS NZ :NH3+ -118:sc= -0.278 (180deg=-0.968) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.341) USER MOD Single : A 94 SER OG : rot 56:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.830 26.089 6.281 1.00 1.00 N ATOM 2 CA MET A 1 3.093 27.416 5.653 1.00 1.00 C ATOM 3 C MET A 1 4.596 27.673 5.627 1.00 1.00 C ATOM 4 O MET A 1 5.049 28.712 5.145 1.00 1.00 O ATOM 5 CB MET A 1 2.390 28.508 6.461 1.00 1.00 C ATOM 6 CG MET A 1 2.931 28.514 7.892 1.00 1.00 C ATOM 7 SD MET A 1 1.556 28.671 9.058 1.00 1.00 S ATOM 8 CE MET A 1 0.813 30.153 8.333 1.00 1.00 C ATOM 0 H1 MET A 1 1.810 25.983 6.455 1.00 1.00 H new ATOM 0 H2 MET A 1 3.153 25.333 5.644 1.00 1.00 H new ATOM 0 H3 MET A 1 3.344 26.024 7.183 1.00 1.00 H new ATOM 0 HA MET A 1 2.710 27.424 4.632 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.552 29.480 5.996 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.314 28.334 6.469 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.484 27.595 8.087 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.630 29.340 8.024 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.381 30.767 9.123 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.578 30.724 7.807 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.031 29.862 7.631 1.00 1.00 H new ATOM 20 N GLY A 2 5.363 26.723 6.150 1.00 1.00 N ATOM 21 CA GLY A 2 6.815 26.859 6.180 1.00 1.00 C ATOM 22 C GLY A 2 7.405 26.728 4.781 1.00 1.00 C ATOM 23 O GLY A 2 6.935 27.363 3.837 1.00 1.00 O ATOM 0 H GLY A 2 5.008 25.857 6.556 1.00 1.00 H new ATOM 0 HA2 GLY A 2 7.084 27.827 6.603 1.00 1.00 H new ATOM 0 HA3 GLY A 2 7.242 26.096 6.831 1.00 1.00 H new ATOM 27 N HIS A 3 8.437 25.900 4.654 1.00 1.00 N ATOM 28 CA HIS A 3 9.084 25.694 3.363 1.00 1.00 C ATOM 29 C HIS A 3 9.455 24.226 3.178 1.00 1.00 C ATOM 30 O HIS A 3 9.142 23.620 2.153 1.00 1.00 O ATOM 31 CB HIS A 3 10.343 26.557 3.265 1.00 1.00 C ATOM 32 CG HIS A 3 10.115 27.858 3.984 1.00 1.00 C ATOM 33 ND1 HIS A 3 9.343 28.875 3.444 1.00 1.00 N ATOM 34 CD2 HIS A 3 10.551 28.324 5.200 1.00 1.00 C ATOM 35 CE1 HIS A 3 9.337 29.892 4.325 1.00 1.00 C ATOM 36 NE2 HIS A 3 10.057 29.609 5.414 1.00 1.00 N ATOM 0 H HIS A 3 8.841 25.365 5.423 1.00 1.00 H new ATOM 0 HA HIS A 3 8.385 25.982 2.578 1.00 1.00 H new ATOM 0 HB2 HIS A 3 11.192 26.032 3.702 1.00 1.00 H new ATOM 0 HB3 HIS A 3 10.588 26.745 2.220 1.00 1.00 H new ATOM 0 HD2 HIS A 3 11.181 27.777 5.886 1.00 1.00 H new ATOM 0 HE1 HIS A 3 8.814 30.824 4.170 1.00 1.00 H new ATOM 0 HE2 HIS A 3 10.212 30.205 6.227 1.00 1.00 H new ATOM 44 N HIS A 4 10.125 23.661 4.176 1.00 1.00 N ATOM 45 CA HIS A 4 10.535 22.261 4.114 1.00 1.00 C ATOM 46 C HIS A 4 9.475 21.364 4.743 1.00 1.00 C ATOM 47 O HIS A 4 9.377 21.264 5.966 1.00 1.00 O ATOM 48 CB HIS A 4 11.865 22.075 4.845 1.00 1.00 C ATOM 49 CG HIS A 4 12.997 22.168 3.860 1.00 1.00 C ATOM 50 ND1 HIS A 4 13.826 23.277 3.789 1.00 1.00 N ATOM 51 CD2 HIS A 4 13.451 21.300 2.898 1.00 1.00 C ATOM 52 CE1 HIS A 4 14.727 23.048 2.816 1.00 1.00 C ATOM 53 NE2 HIS A 4 14.543 21.857 2.240 1.00 1.00 N ATOM 0 H HIS A 4 10.395 24.146 5.032 1.00 1.00 H new ATOM 0 HA HIS A 4 10.654 21.982 3.067 1.00 1.00 H new ATOM 0 HB2 HIS A 4 11.977 22.836 5.617 1.00 1.00 H new ATOM 0 HB3 HIS A 4 11.884 21.107 5.347 1.00 1.00 H new ATOM 0 HD2 HIS A 4 13.025 20.331 2.684 1.00 1.00 H new ATOM 0 HE1 HIS A 4 15.505 23.743 2.535 1.00 1.00 H new ATOM 0 HE2 HIS A 4 15.086 21.445 1.481 1.00 1.00 H new ATOM 61 N HIS A 5 8.683 20.711 3.899 1.00 1.00 N ATOM 62 CA HIS A 5 7.632 19.823 4.385 1.00 1.00 C ATOM 63 C HIS A 5 8.113 18.375 4.384 1.00 1.00 C ATOM 64 O HIS A 5 8.479 17.833 3.341 1.00 1.00 O ATOM 65 CB HIS A 5 6.389 19.951 3.501 1.00 1.00 C ATOM 66 CG HIS A 5 5.651 21.213 3.856 1.00 1.00 C ATOM 67 ND1 HIS A 5 5.535 21.660 5.162 1.00 1.00 N ATOM 68 CD2 HIS A 5 4.986 22.135 3.085 1.00 1.00 C ATOM 69 CE1 HIS A 5 4.826 22.802 5.140 1.00 1.00 C ATOM 70 NE2 HIS A 5 4.467 23.137 3.898 1.00 1.00 N ATOM 0 H HIS A 5 8.747 20.778 2.883 1.00 1.00 H new ATOM 0 HA HIS A 5 7.382 20.111 5.406 1.00 1.00 H new ATOM 0 HB2 HIS A 5 6.677 19.969 2.450 1.00 1.00 H new ATOM 0 HB3 HIS A 5 5.740 19.086 3.639 1.00 1.00 H new ATOM 0 HD2 HIS A 5 4.882 22.089 2.011 1.00 1.00 H new ATOM 0 HE1 HIS A 5 4.577 23.378 6.019 1.00 1.00 H new ATOM 0 HE2 HIS A 5 3.928 23.953 3.608 1.00 1.00 H new ATOM 78 N HIS A 6 8.109 17.755 5.559 1.00 1.00 N ATOM 79 CA HIS A 6 8.548 16.370 5.683 1.00 1.00 C ATOM 80 C HIS A 6 7.418 15.415 5.316 1.00 1.00 C ATOM 81 O HIS A 6 7.636 14.214 5.155 1.00 1.00 O ATOM 82 CB HIS A 6 9.004 16.093 7.117 1.00 1.00 C ATOM 83 CG HIS A 6 10.460 16.442 7.257 1.00 1.00 C ATOM 84 ND1 HIS A 6 11.294 15.784 8.146 1.00 1.00 N ATOM 85 CD2 HIS A 6 11.244 17.378 6.630 1.00 1.00 C ATOM 86 CE1 HIS A 6 12.520 16.326 8.031 1.00 1.00 C ATOM 87 NE2 HIS A 6 12.545 17.303 7.120 1.00 1.00 N ATOM 0 H HIS A 6 7.809 18.186 6.433 1.00 1.00 H new ATOM 0 HA HIS A 6 9.381 16.211 4.999 1.00 1.00 H new ATOM 0 HB2 HIS A 6 8.410 16.679 7.818 1.00 1.00 H new ATOM 0 HB3 HIS A 6 8.845 15.043 7.364 1.00 1.00 H new ATOM 0 HD2 HIS A 6 10.903 18.068 5.872 1.00 1.00 H new ATOM 0 HE1 HIS A 6 13.379 16.010 8.605 1.00 1.00 H new ATOM 0 HE2 HIS A 6 13.345 17.872 6.843 1.00 1.00 H new ATOM 95 N HIS A 7 6.210 15.955 5.181 1.00 1.00 N ATOM 96 CA HIS A 7 5.054 15.137 4.833 1.00 1.00 C ATOM 97 C HIS A 7 4.892 13.989 5.823 1.00 1.00 C ATOM 98 O HIS A 7 5.591 12.979 5.736 1.00 1.00 O ATOM 99 CB HIS A 7 5.218 14.576 3.419 1.00 1.00 C ATOM 100 CG HIS A 7 5.530 15.699 2.467 1.00 1.00 C ATOM 101 ND1 HIS A 7 4.604 16.682 2.157 1.00 1.00 N ATOM 102 CD2 HIS A 7 6.660 16.008 1.753 1.00 1.00 C ATOM 103 CE1 HIS A 7 5.187 17.529 1.289 1.00 1.00 C ATOM 104 NE2 HIS A 7 6.442 17.165 1.009 1.00 1.00 N ATOM 0 H HIS A 7 6.008 16.947 5.306 1.00 1.00 H new ATOM 0 HA HIS A 7 4.163 15.764 4.874 1.00 1.00 H new ATOM 0 HB2 HIS A 7 6.018 13.836 3.400 1.00 1.00 H new ATOM 0 HB3 HIS A 7 4.305 14.066 3.110 1.00 1.00 H new ATOM 0 HD2 HIS A 7 7.579 15.440 1.766 1.00 1.00 H new ATOM 0 HE1 HIS A 7 4.700 18.397 0.870 1.00 1.00 H new ATOM 0 HE2 HIS A 7 7.099 17.634 0.385 1.00 1.00 H new ATOM 112 N HIS A 8 3.969 14.151 6.764 1.00 1.00 N ATOM 113 CA HIS A 8 3.725 13.122 7.768 1.00 1.00 C ATOM 114 C HIS A 8 2.901 11.981 7.180 1.00 1.00 C ATOM 115 O HIS A 8 2.422 11.112 7.907 1.00 1.00 O ATOM 116 CB HIS A 8 2.985 13.723 8.965 1.00 1.00 C ATOM 117 CG HIS A 8 3.521 13.123 10.236 1.00 1.00 C ATOM 118 ND1 HIS A 8 4.026 11.833 10.290 1.00 1.00 N ATOM 119 CD2 HIS A 8 3.635 13.623 11.510 1.00 1.00 C ATOM 120 CE1 HIS A 8 4.418 11.602 11.556 1.00 1.00 C ATOM 121 NE2 HIS A 8 4.202 12.661 12.342 1.00 1.00 N ATOM 0 H HIS A 8 3.381 14.979 6.853 1.00 1.00 H new ATOM 0 HA HIS A 8 4.687 12.728 8.096 1.00 1.00 H new ATOM 0 HB2 HIS A 8 3.112 14.805 8.979 1.00 1.00 H new ATOM 0 HB3 HIS A 8 1.916 13.529 8.881 1.00 1.00 H new ATOM 0 HD1 HIS A 8 4.089 11.178 9.511 1.00 1.00 H new ATOM 0 HD2 HIS A 8 3.331 14.612 11.820 1.00 1.00 H new ATOM 0 HE1 HIS A 8 4.854 10.674 11.896 1.00 1.00 H new ATOM 129 N MET A 9 2.739 11.992 5.862 1.00 1.00 N ATOM 130 CA MET A 9 1.969 10.951 5.189 1.00 1.00 C ATOM 131 C MET A 9 2.415 10.806 3.739 1.00 1.00 C ATOM 132 O MET A 9 2.208 11.703 2.921 1.00 1.00 O ATOM 133 CB MET A 9 0.480 11.291 5.236 1.00 1.00 C ATOM 134 CG MET A 9 -0.268 10.477 4.177 1.00 1.00 C ATOM 135 SD MET A 9 -2.031 10.428 4.588 1.00 1.00 S ATOM 136 CE MET A 9 -2.500 11.969 3.764 1.00 1.00 C ATOM 0 H MET A 9 3.126 12.703 5.242 1.00 1.00 H new ATOM 0 HA MET A 9 2.142 10.007 5.705 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.079 11.074 6.226 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.335 12.357 5.059 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.125 10.923 3.193 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.134 9.465 4.130 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.569 12.140 3.893 1.00 1.00 H new ATOM 0 HE2 MET A 9 -1.945 12.799 4.201 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.269 11.898 2.701 1.00 1.00 H new ATOM 146 N ASP A 10 3.028 9.670 3.431 1.00 1.00 N ATOM 147 CA ASP A 10 3.502 9.410 2.077 1.00 1.00 C ATOM 148 C ASP A 10 3.878 7.941 1.910 1.00 1.00 C ATOM 149 O ASP A 10 4.675 7.590 1.041 1.00 1.00 O ATOM 150 CB ASP A 10 4.719 10.288 1.775 1.00 1.00 C ATOM 151 CG ASP A 10 5.683 10.265 2.955 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.498 9.434 3.830 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.592 11.078 2.969 1.00 1.00 O ATOM 0 H ASP A 10 3.208 8.918 4.096 1.00 1.00 H new ATOM 0 HA ASP A 10 2.699 9.647 1.379 1.00 1.00 H new ATOM 0 HB2 ASP A 10 5.222 9.930 0.877 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.399 11.311 1.576 1.00 1.00 H new ATOM 158 N THR A 11 3.302 7.089 2.752 1.00 1.00 N ATOM 159 CA THR A 11 3.586 5.660 2.690 1.00 1.00 C ATOM 160 C THR A 11 2.402 4.862 3.227 1.00 1.00 C ATOM 161 O THR A 11 1.817 5.215 4.251 1.00 1.00 O ATOM 162 CB THR A 11 4.842 5.350 3.512 1.00 1.00 C ATOM 163 OG1 THR A 11 5.992 5.532 2.698 1.00 1.00 O ATOM 164 CG2 THR A 11 4.801 3.905 4.018 1.00 1.00 C ATOM 0 H THR A 11 2.641 7.360 3.480 1.00 1.00 H new ATOM 0 HA THR A 11 3.755 5.376 1.651 1.00 1.00 H new ATOM 0 HB THR A 11 4.882 6.024 4.368 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.776 5.677 3.267 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.699 3.698 4.600 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.921 3.764 4.645 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.754 3.223 3.169 1.00 1.00 H new ATOM 172 N ILE A 12 2.058 3.785 2.529 1.00 1.00 N ATOM 173 CA ILE A 12 0.943 2.937 2.942 1.00 1.00 C ATOM 174 C ILE A 12 1.459 1.623 3.516 1.00 1.00 C ATOM 175 O ILE A 12 2.591 1.221 3.249 1.00 1.00 O ATOM 176 CB ILE A 12 0.032 2.654 1.747 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.885 2.443 0.494 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.907 3.841 1.527 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.245 1.371 -0.387 1.00 1.00 C ATOM 0 H ILE A 12 2.532 3.479 1.679 1.00 1.00 H new ATOM 0 HA ILE A 12 0.376 3.460 3.712 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.555 1.757 1.944 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.974 3.378 -0.060 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.894 2.142 0.775 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.556 3.638 0.675 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.515 3.994 2.418 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.320 4.738 1.331 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.854 1.222 -1.279 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.179 0.435 0.168 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.755 1.690 -0.680 1.00 1.00 H new ATOM 191 N ILE A 13 0.619 0.959 4.306 1.00 1.00 N ATOM 192 CA ILE A 13 0.999 -0.313 4.915 1.00 1.00 C ATOM 193 C ILE A 13 -0.110 -1.345 4.735 1.00 1.00 C ATOM 194 O ILE A 13 -1.294 -1.010 4.765 1.00 1.00 O ATOM 195 CB ILE A 13 1.297 -0.114 6.407 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.357 -1.123 6.852 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.024 -0.325 7.234 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.511 -1.065 8.372 1.00 1.00 C ATOM 0 H ILE A 13 -0.322 1.277 4.538 1.00 1.00 H new ATOM 0 HA ILE A 13 1.898 -0.680 4.419 1.00 1.00 H new ATOM 0 HB ILE A 13 1.661 0.902 6.562 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.070 -2.128 6.543 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.310 -0.902 6.371 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.249 -0.181 8.291 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.735 0.393 6.923 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.348 -1.337 7.077 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.266 -1.784 8.689 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.818 -0.062 8.669 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.559 -1.308 8.844 1.00 1.00 H new ATOM 210 N LEU A 14 0.283 -2.599 4.544 1.00 1.00 N ATOM 211 CA LEU A 14 -0.686 -3.672 4.359 1.00 1.00 C ATOM 212 C LEU A 14 -0.870 -4.453 5.657 1.00 1.00 C ATOM 213 O LEU A 14 0.084 -4.658 6.409 1.00 1.00 O ATOM 214 CB LEU A 14 -0.213 -4.616 3.251 1.00 1.00 C ATOM 215 CG LEU A 14 0.392 -3.801 2.109 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.764 -4.733 0.955 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.627 -2.771 1.620 1.00 1.00 C ATOM 0 H LEU A 14 1.258 -2.896 4.513 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.642 -3.232 4.075 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.526 -5.314 3.645 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.050 -5.211 2.884 1.00 1.00 H new ATOM 0 HG LEU A 14 1.286 -3.289 2.466 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.195 -4.150 0.141 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.491 -5.468 1.301 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.129 -5.247 0.600 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.195 -2.190 0.805 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.521 -3.284 1.265 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.892 -2.104 2.440 1.00 1.00 H new ATOM 229 N ARG A 15 -2.105 -4.881 5.913 1.00 1.00 N ATOM 230 CA ARG A 15 -2.420 -5.632 7.124 1.00 1.00 C ATOM 231 C ARG A 15 -3.063 -6.969 6.771 1.00 1.00 C ATOM 232 O ARG A 15 -3.759 -7.081 5.763 1.00 1.00 O ATOM 233 CB ARG A 15 -3.366 -4.804 8.004 1.00 1.00 C ATOM 234 CG ARG A 15 -4.232 -5.718 8.879 1.00 1.00 C ATOM 235 CD ARG A 15 -4.854 -4.894 10.011 1.00 1.00 C ATOM 236 NE ARG A 15 -3.963 -4.881 11.165 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.961 -5.877 12.045 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.789 -6.875 11.902 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.131 -5.857 13.051 1.00 1.00 N ATOM 0 H ARG A 15 -2.902 -4.720 5.298 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.498 -5.831 7.671 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.787 -4.130 8.635 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.004 -4.182 7.376 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -5.015 -6.181 8.278 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.627 -6.526 9.291 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -5.038 -3.875 9.671 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.819 -5.316 10.291 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.330 -4.093 11.299 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.438 -6.891 11.115 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.788 -7.640 12.577 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.483 -5.077 13.162 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.130 -6.621 13.726 1.00 1.00 H new ATOM 253 N ASN A 16 -2.821 -7.973 7.613 1.00 1.00 N ATOM 254 CA ASN A 16 -3.374 -9.308 7.406 1.00 1.00 C ATOM 255 C ASN A 16 -2.683 -10.012 6.244 1.00 1.00 C ATOM 256 O ASN A 16 -3.320 -10.375 5.256 1.00 1.00 O ATOM 257 CB ASN A 16 -4.874 -9.217 7.132 1.00 1.00 C ATOM 258 CG ASN A 16 -5.541 -10.557 7.416 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.324 -11.153 8.471 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.354 -11.067 6.532 1.00 1.00 N ATOM 0 H ASN A 16 -2.243 -7.885 8.448 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.204 -9.889 8.313 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.319 -8.441 7.755 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.045 -8.930 6.095 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.811 -11.961 6.715 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.533 -10.572 5.658 1.00 1.00 H new ATOM 267 N ILE A 17 -1.375 -10.205 6.372 1.00 1.00 N ATOM 268 CA ILE A 17 -0.601 -10.870 5.330 1.00 1.00 C ATOM 269 C ILE A 17 -0.311 -12.315 5.718 1.00 1.00 C ATOM 270 O ILE A 17 -0.051 -12.616 6.882 1.00 1.00 O ATOM 271 CB ILE A 17 0.722 -10.134 5.116 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.469 -8.629 4.975 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.408 -10.664 3.855 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.621 -8.378 3.930 1.00 1.00 C ATOM 0 H ILE A 17 -0.830 -9.912 7.183 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.184 -10.858 4.409 1.00 1.00 H new ATOM 0 HB ILE A 17 1.368 -10.305 5.977 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.167 -8.211 5.935 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.389 -8.123 4.682 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.351 -10.138 3.705 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.602 -11.731 3.967 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.761 -10.502 2.993 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.795 -7.306 3.836 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.302 -8.780 2.968 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.543 -8.869 4.241 1.00 1.00 H new ATOM 286 N ALA A 18 -0.350 -13.205 4.732 1.00 1.00 N ATOM 287 CA ALA A 18 -0.082 -14.617 4.984 1.00 1.00 C ATOM 288 C ALA A 18 1.424 -14.855 5.116 1.00 1.00 C ATOM 289 O ALA A 18 2.228 -14.047 4.651 1.00 1.00 O ATOM 290 CB ALA A 18 -0.638 -15.468 3.839 1.00 1.00 C ATOM 0 H ALA A 18 -0.562 -12.978 3.761 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.570 -14.903 5.916 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.433 -16.520 4.035 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.715 -15.316 3.762 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.162 -15.174 2.903 1.00 1.00 H new ATOM 296 N PRO A 19 1.819 -15.939 5.739 1.00 1.00 N ATOM 297 CA PRO A 19 3.262 -16.279 5.929 1.00 1.00 C ATOM 298 C PRO A 19 3.928 -16.733 4.631 1.00 1.00 C ATOM 299 O PRO A 19 5.065 -17.206 4.641 1.00 1.00 O ATOM 300 CB PRO A 19 3.232 -17.418 6.948 1.00 1.00 C ATOM 301 CG PRO A 19 1.900 -18.066 6.770 1.00 1.00 C ATOM 302 CD PRO A 19 0.938 -16.963 6.329 1.00 1.00 C ATOM 0 HA PRO A 19 3.843 -15.417 6.257 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.041 -18.126 6.771 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.354 -17.041 7.964 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.951 -18.858 6.023 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.564 -18.525 7.700 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.213 -17.332 5.604 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.372 -16.566 7.172 1.00 1.00 H new ATOM 310 N HIS A 20 3.209 -16.590 3.520 1.00 1.00 N ATOM 311 CA HIS A 20 3.733 -16.992 2.216 1.00 1.00 C ATOM 312 C HIS A 20 3.797 -15.796 1.270 1.00 1.00 C ATOM 313 O HIS A 20 3.734 -15.954 0.051 1.00 1.00 O ATOM 314 CB HIS A 20 2.833 -18.069 1.610 1.00 1.00 C ATOM 315 CG HIS A 20 3.675 -19.083 0.886 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.032 -18.931 -0.445 1.00 1.00 N ATOM 317 CD2 HIS A 20 4.231 -20.271 1.290 1.00 1.00 C ATOM 318 CE1 HIS A 20 4.771 -20.003 -0.791 1.00 1.00 C ATOM 319 NE2 HIS A 20 4.922 -20.850 0.230 1.00 1.00 N ATOM 0 H HIS A 20 2.266 -16.201 3.496 1.00 1.00 H new ATOM 0 HA HIS A 20 4.740 -17.386 2.354 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.254 -18.556 2.394 1.00 1.00 H new ATOM 0 HB3 HIS A 20 2.120 -17.616 0.922 1.00 1.00 H new ATOM 0 HD2 HIS A 20 4.145 -20.693 2.281 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.190 -20.158 -1.774 1.00 1.00 H new ATOM 0 HE2 HIS A 20 5.434 -21.732 0.232 1.00 1.00 H new ATOM 327 N THR A 21 3.919 -14.604 1.840 1.00 1.00 N ATOM 328 CA THR A 21 3.987 -13.390 1.038 1.00 1.00 C ATOM 329 C THR A 21 5.426 -13.086 0.636 1.00 1.00 C ATOM 330 O THR A 21 6.347 -13.208 1.443 1.00 1.00 O ATOM 331 CB THR A 21 3.412 -12.211 1.826 1.00 1.00 C ATOM 332 OG1 THR A 21 1.991 -12.253 1.764 1.00 1.00 O ATOM 333 CG2 THR A 21 3.913 -10.897 1.222 1.00 1.00 C ATOM 0 H THR A 21 3.973 -14.452 2.847 1.00 1.00 H new ATOM 0 HA THR A 21 3.399 -13.544 0.133 1.00 1.00 H new ATOM 0 HB THR A 21 3.734 -12.275 2.865 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.666 -11.513 1.211 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.503 -10.058 1.784 1.00 1.00 H new ATOM 0 HG22 THR A 21 5.002 -10.867 1.268 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.592 -10.829 0.183 1.00 1.00 H new ATOM 341 N VAL A 22 5.610 -12.686 -0.619 1.00 1.00 N ATOM 342 CA VAL A 22 6.940 -12.361 -1.123 1.00 1.00 C ATOM 343 C VAL A 22 6.902 -11.065 -1.927 1.00 1.00 C ATOM 344 O VAL A 22 5.844 -10.645 -2.397 1.00 1.00 O ATOM 345 CB VAL A 22 7.455 -13.497 -2.005 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.408 -14.381 -1.198 1.00 1.00 C ATOM 347 CG2 VAL A 22 6.274 -14.338 -2.494 1.00 1.00 C ATOM 0 H VAL A 22 4.860 -12.580 -1.302 1.00 1.00 H new ATOM 0 HA VAL A 22 7.611 -12.230 -0.274 1.00 1.00 H new ATOM 0 HB VAL A 22 7.985 -13.079 -2.861 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.775 -15.191 -1.828 1.00 1.00 H new ATOM 0 HG12 VAL A 22 9.250 -13.784 -0.848 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.879 -14.799 -0.341 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.641 -15.149 -3.123 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.745 -14.755 -1.637 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.594 -13.710 -3.070 1.00 1.00 H new ATOM 357 N VAL A 23 8.063 -10.436 -2.082 1.00 1.00 N ATOM 358 CA VAL A 23 8.148 -9.187 -2.832 1.00 1.00 C ATOM 359 C VAL A 23 7.546 -9.354 -4.224 1.00 1.00 C ATOM 360 O VAL A 23 7.109 -8.384 -4.842 1.00 1.00 O ATOM 361 CB VAL A 23 9.609 -8.751 -2.956 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.698 -7.515 -3.850 1.00 1.00 C ATOM 363 CG2 VAL A 23 10.159 -8.417 -1.567 1.00 1.00 C ATOM 0 H VAL A 23 8.950 -10.766 -1.702 1.00 1.00 H new ATOM 0 HA VAL A 23 7.585 -8.424 -2.294 1.00 1.00 H new ATOM 0 HB VAL A 23 10.194 -9.559 -3.395 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.739 -7.204 -3.938 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.305 -7.752 -4.839 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.114 -6.706 -3.412 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.200 -8.106 -1.653 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.574 -7.609 -1.129 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.095 -9.298 -0.929 1.00 1.00 H new ATOM 373 N ASP A 24 7.529 -10.592 -4.710 1.00 1.00 N ATOM 374 CA ASP A 24 6.980 -10.875 -6.032 1.00 1.00 C ATOM 375 C ASP A 24 5.456 -10.911 -5.988 1.00 1.00 C ATOM 376 O ASP A 24 4.790 -10.638 -6.986 1.00 1.00 O ATOM 377 CB ASP A 24 7.509 -12.218 -6.537 1.00 1.00 C ATOM 378 CG ASP A 24 8.394 -12.006 -7.762 1.00 1.00 C ATOM 379 OD1 ASP A 24 7.873 -11.574 -8.778 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.577 -12.283 -7.669 1.00 1.00 O ATOM 0 H ASP A 24 7.886 -11.408 -4.213 1.00 1.00 H new ATOM 0 HA ASP A 24 7.291 -10.081 -6.710 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.077 -12.713 -5.750 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.676 -12.874 -6.790 1.00 1.00 H new ATOM 385 N SER A 25 4.908 -11.256 -4.827 1.00 1.00 N ATOM 386 CA SER A 25 3.460 -11.329 -4.667 1.00 1.00 C ATOM 387 C SER A 25 2.857 -9.931 -4.577 1.00 1.00 C ATOM 388 O SER A 25 1.716 -9.710 -4.985 1.00 1.00 O ATOM 389 CB SER A 25 3.113 -12.118 -3.405 1.00 1.00 C ATOM 390 OG SER A 25 3.211 -13.510 -3.680 1.00 1.00 O ATOM 0 H SER A 25 5.440 -11.488 -3.988 1.00 1.00 H new ATOM 0 HA SER A 25 3.044 -11.835 -5.538 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.790 -11.847 -2.595 1.00 1.00 H new ATOM 0 HB3 SER A 25 2.104 -11.871 -3.073 1.00 1.00 H new ATOM 0 HG SER A 25 2.991 -14.019 -2.872 1.00 1.00 H new ATOM 396 N ILE A 26 3.628 -8.991 -4.041 1.00 1.00 N ATOM 397 CA ILE A 26 3.157 -7.617 -3.904 1.00 1.00 C ATOM 398 C ILE A 26 3.402 -6.837 -5.192 1.00 1.00 C ATOM 399 O ILE A 26 2.725 -5.846 -5.469 1.00 1.00 O ATOM 400 CB ILE A 26 3.878 -6.923 -2.744 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.879 -7.829 -1.506 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.165 -5.612 -2.410 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.465 -8.353 -1.242 1.00 1.00 C ATOM 0 H ILE A 26 4.574 -9.153 -3.697 1.00 1.00 H new ATOM 0 HA ILE A 26 2.086 -7.642 -3.701 1.00 1.00 H new ATOM 0 HB ILE A 26 4.907 -6.718 -3.039 1.00 1.00 H new ATOM 0 HG12 ILE A 26 4.563 -8.664 -1.656 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.238 -7.274 -0.639 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.678 -5.119 -1.585 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.173 -4.960 -3.284 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.134 -5.821 -2.123 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.474 -8.996 -0.362 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.792 -7.513 -1.072 1.00 1.00 H new ATOM 0 HD13 ILE A 26 2.122 -8.924 -2.105 1.00 1.00 H new ATOM 415 N MET A 27 4.376 -7.288 -5.974 1.00 1.00 N ATOM 416 CA MET A 27 4.707 -6.626 -7.230 1.00 1.00 C ATOM 417 C MET A 27 3.619 -6.863 -8.273 1.00 1.00 C ATOM 418 O MET A 27 3.062 -5.916 -8.831 1.00 1.00 O ATOM 419 CB MET A 27 6.044 -7.151 -7.758 1.00 1.00 C ATOM 420 CG MET A 27 7.191 -6.375 -7.109 1.00 1.00 C ATOM 421 SD MET A 27 7.591 -4.929 -8.120 1.00 1.00 S ATOM 422 CE MET A 27 9.329 -4.785 -7.635 1.00 1.00 C ATOM 0 H MET A 27 4.948 -8.106 -5.762 1.00 1.00 H new ATOM 0 HA MET A 27 4.782 -5.555 -7.042 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.141 -8.214 -7.539 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.086 -7.044 -8.842 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.909 -6.062 -6.104 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.067 -7.016 -7.010 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.782 -3.939 -8.151 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.395 -4.630 -6.558 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.859 -5.699 -7.903 1.00 1.00 H new ATOM 432 N THR A 28 3.327 -8.131 -8.536 1.00 1.00 N ATOM 433 CA THR A 28 2.311 -8.485 -9.521 1.00 1.00 C ATOM 434 C THR A 28 0.917 -8.085 -9.041 1.00 1.00 C ATOM 435 O THR A 28 0.009 -7.883 -9.846 1.00 1.00 O ATOM 436 CB THR A 28 2.345 -9.992 -9.786 1.00 1.00 C ATOM 437 OG1 THR A 28 3.606 -10.345 -10.335 1.00 1.00 O ATOM 438 CG2 THR A 28 1.234 -10.365 -10.770 1.00 1.00 C ATOM 0 H THR A 28 3.776 -8.928 -8.084 1.00 1.00 H new ATOM 0 HA THR A 28 2.530 -7.944 -10.441 1.00 1.00 H new ATOM 0 HB THR A 28 2.192 -10.530 -8.850 1.00 1.00 H new ATOM 0 HG1 THR A 28 3.631 -11.310 -10.504 1.00 1.00 H new ATOM 0 HG21 THR A 28 1.260 -11.438 -10.958 1.00 1.00 H new ATOM 0 HG22 THR A 28 0.267 -10.094 -10.347 1.00 1.00 H new ATOM 0 HG23 THR A 28 1.383 -9.829 -11.707 1.00 1.00 H new ATOM 446 N ALA A 29 0.751 -7.985 -7.725 1.00 1.00 N ATOM 447 CA ALA A 29 -0.543 -7.620 -7.155 1.00 1.00 C ATOM 448 C ALA A 29 -0.825 -6.126 -7.319 1.00 1.00 C ATOM 449 O ALA A 29 -1.969 -5.726 -7.535 1.00 1.00 O ATOM 450 CB ALA A 29 -0.577 -7.984 -5.671 1.00 1.00 C ATOM 0 H ALA A 29 1.488 -8.150 -7.039 1.00 1.00 H new ATOM 0 HA ALA A 29 -1.313 -8.174 -7.692 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.545 -7.709 -5.251 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.423 -9.057 -5.556 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.212 -7.446 -5.146 1.00 1.00 H new ATOM 456 N LEU A 30 0.217 -5.307 -7.203 1.00 1.00 N ATOM 457 CA LEU A 30 0.057 -3.859 -7.328 1.00 1.00 C ATOM 458 C LEU A 30 0.523 -3.365 -8.696 1.00 1.00 C ATOM 459 O LEU A 30 0.607 -2.160 -8.934 1.00 1.00 O ATOM 460 CB LEU A 30 0.856 -3.148 -6.230 1.00 1.00 C ATOM 461 CG LEU A 30 0.139 -3.295 -4.880 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.042 -2.765 -3.765 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.177 -2.503 -4.879 1.00 1.00 C ATOM 0 H LEU A 30 1.173 -5.616 -7.024 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.003 -3.629 -7.222 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.859 -3.571 -6.167 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.970 -2.093 -6.477 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.082 -4.350 -4.715 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.535 -2.868 -2.806 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.971 -3.335 -3.747 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.265 -1.713 -3.946 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.671 -2.619 -3.914 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.967 -1.448 -5.054 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.829 -2.879 -5.668 1.00 1.00 H new ATOM 475 N SER A 31 0.836 -4.298 -9.590 1.00 1.00 N ATOM 476 CA SER A 31 1.304 -3.939 -10.925 1.00 1.00 C ATOM 477 C SER A 31 0.258 -3.124 -11.691 1.00 1.00 C ATOM 478 O SER A 31 0.561 -2.035 -12.181 1.00 1.00 O ATOM 479 CB SER A 31 1.660 -5.198 -11.715 1.00 1.00 C ATOM 480 OG SER A 31 1.009 -5.162 -12.979 1.00 1.00 O ATOM 0 H SER A 31 0.775 -5.301 -9.417 1.00 1.00 H new ATOM 0 HA SER A 31 2.193 -3.319 -10.807 1.00 1.00 H new ATOM 0 HB2 SER A 31 2.740 -5.262 -11.851 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.355 -6.086 -11.162 1.00 1.00 H new ATOM 0 HG SER A 31 1.238 -5.968 -13.488 1.00 1.00 H new ATOM 486 N PRO A 32 -0.952 -3.616 -11.818 1.00 1.00 N ATOM 487 CA PRO A 32 -2.027 -2.896 -12.558 1.00 1.00 C ATOM 488 C PRO A 32 -2.615 -1.747 -11.745 1.00 1.00 C ATOM 489 O PRO A 32 -3.448 -0.986 -12.239 1.00 1.00 O ATOM 490 CB PRO A 32 -3.076 -3.976 -12.812 1.00 1.00 C ATOM 491 CG PRO A 32 -2.904 -4.960 -11.703 1.00 1.00 C ATOM 492 CD PRO A 32 -1.434 -4.902 -11.279 1.00 1.00 C ATOM 0 HA PRO A 32 -1.655 -2.433 -13.472 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -4.082 -3.555 -12.812 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.928 -4.448 -13.783 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.557 -4.715 -10.865 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -3.171 -5.964 -12.033 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.330 -4.943 -10.195 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.869 -5.741 -11.685 1.00 1.00 H new ATOM 500 N TYR A 33 -2.178 -1.628 -10.499 1.00 1.00 N ATOM 501 CA TYR A 33 -2.671 -0.569 -9.626 1.00 1.00 C ATOM 502 C TYR A 33 -1.692 0.604 -9.590 1.00 1.00 C ATOM 503 O TYR A 33 -2.095 1.748 -9.382 1.00 1.00 O ATOM 504 CB TYR A 33 -2.881 -1.113 -8.213 1.00 1.00 C ATOM 505 CG TYR A 33 -4.020 -2.105 -8.225 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.772 -3.455 -8.503 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.324 -1.674 -7.959 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.829 -4.372 -8.514 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.382 -2.591 -7.970 1.00 1.00 C ATOM 510 CZ TYR A 33 -6.135 -3.942 -8.248 1.00 1.00 C ATOM 511 OH TYR A 33 -7.176 -4.846 -8.259 1.00 1.00 O ATOM 0 H TYR A 33 -1.488 -2.246 -10.071 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.623 -0.213 -10.021 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.969 -1.593 -7.856 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.102 -0.296 -7.525 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.766 -3.788 -8.709 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.515 -0.633 -7.745 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.637 -5.413 -8.728 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.388 -2.257 -7.764 1.00 1.00 H new ATOM 0 HH TYR A 33 -8.014 -4.382 -8.053 1.00 1.00 H new ATOM 521 N ALA A 34 -0.410 0.312 -9.794 1.00 1.00 N ATOM 522 CA ALA A 34 0.615 1.352 -9.783 1.00 1.00 C ATOM 523 C ALA A 34 2.001 0.742 -9.966 1.00 1.00 C ATOM 524 O ALA A 34 2.138 -0.471 -10.135 1.00 1.00 O ATOM 525 CB ALA A 34 0.572 2.116 -8.460 1.00 1.00 C ATOM 0 H ALA A 34 -0.058 -0.629 -9.968 1.00 1.00 H new ATOM 0 HA ALA A 34 0.415 2.036 -10.608 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.340 2.889 -8.461 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.408 2.578 -8.338 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.753 1.426 -7.636 1.00 1.00 H new ATOM 531 N SER A 35 3.023 1.593 -9.923 1.00 1.00 N ATOM 532 CA SER A 35 4.401 1.139 -10.075 1.00 1.00 C ATOM 533 C SER A 35 5.172 1.366 -8.780 1.00 1.00 C ATOM 534 O SER A 35 5.171 2.472 -8.236 1.00 1.00 O ATOM 535 CB SER A 35 5.079 1.900 -11.215 1.00 1.00 C ATOM 536 OG SER A 35 4.210 2.928 -11.674 1.00 1.00 O ATOM 0 H SER A 35 2.923 2.599 -9.784 1.00 1.00 H new ATOM 0 HA SER A 35 4.396 0.074 -10.307 1.00 1.00 H new ATOM 0 HB2 SER A 35 6.020 2.329 -10.872 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.318 1.218 -12.031 1.00 1.00 H new ATOM 0 HG SER A 35 4.642 3.420 -12.404 1.00 1.00 H new ATOM 542 N LEU A 36 5.823 0.315 -8.289 1.00 1.00 N ATOM 543 CA LEU A 36 6.592 0.414 -7.051 1.00 1.00 C ATOM 544 C LEU A 36 8.087 0.369 -7.342 1.00 1.00 C ATOM 545 O LEU A 36 8.506 0.363 -8.500 1.00 1.00 O ATOM 546 CB LEU A 36 6.216 -0.726 -6.097 1.00 1.00 C ATOM 547 CG LEU A 36 5.379 -1.779 -6.830 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.277 -3.034 -5.965 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.972 -1.229 -7.087 1.00 1.00 C ATOM 0 H LEU A 36 5.834 -0.607 -8.724 1.00 1.00 H new ATOM 0 HA LEU A 36 6.354 1.367 -6.579 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.119 -1.185 -5.695 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.655 -0.331 -5.250 1.00 1.00 H new ATOM 0 HG LEU A 36 5.854 -2.023 -7.780 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.682 -3.786 -6.483 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.276 -3.428 -5.777 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.801 -2.785 -5.017 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.378 -1.979 -7.609 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.497 -0.986 -6.136 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.039 -0.330 -7.699 1.00 1.00 H new ATOM 561 N ALA A 37 8.885 0.341 -6.282 1.00 1.00 N ATOM 562 CA ALA A 37 10.335 0.300 -6.428 1.00 1.00 C ATOM 563 C ALA A 37 10.958 -0.551 -5.323 1.00 1.00 C ATOM 564 O ALA A 37 10.666 -0.363 -4.142 1.00 1.00 O ATOM 565 CB ALA A 37 10.901 1.722 -6.380 1.00 1.00 C ATOM 0 H ALA A 37 8.555 0.346 -5.317 1.00 1.00 H new ATOM 0 HA ALA A 37 10.579 -0.150 -7.390 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.985 1.686 -6.489 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.474 2.311 -7.191 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.648 2.182 -5.425 1.00 1.00 H new ATOM 571 N VAL A 38 11.806 -1.494 -5.720 1.00 1.00 N ATOM 572 CA VAL A 38 12.461 -2.383 -4.764 1.00 1.00 C ATOM 573 C VAL A 38 13.078 -1.601 -3.604 1.00 1.00 C ATOM 574 O VAL A 38 13.045 -2.047 -2.458 1.00 1.00 O ATOM 575 CB VAL A 38 13.551 -3.187 -5.472 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.257 -4.092 -4.460 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.917 -4.047 -6.568 1.00 1.00 C ATOM 0 H VAL A 38 12.056 -1.663 -6.694 1.00 1.00 H new ATOM 0 HA VAL A 38 11.705 -3.055 -4.358 1.00 1.00 H new ATOM 0 HB VAL A 38 14.276 -2.505 -5.916 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.034 -4.665 -4.965 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.707 -3.481 -3.678 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.533 -4.775 -4.016 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.693 -4.621 -7.074 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.193 -4.729 -6.122 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.413 -3.404 -7.289 1.00 1.00 H new ATOM 587 N ASN A 39 13.657 -0.443 -3.913 1.00 1.00 N ATOM 588 CA ASN A 39 14.297 0.379 -2.887 1.00 1.00 C ATOM 589 C ASN A 39 13.282 1.248 -2.147 1.00 1.00 C ATOM 590 O ASN A 39 13.658 2.075 -1.315 1.00 1.00 O ATOM 591 CB ASN A 39 15.358 1.272 -3.530 1.00 1.00 C ATOM 592 CG ASN A 39 15.938 0.587 -4.764 1.00 1.00 C ATOM 593 OD1 ASN A 39 16.599 -0.445 -4.647 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.726 1.100 -5.945 1.00 1.00 N ATOM 0 H ASN A 39 13.697 -0.055 -4.855 1.00 1.00 H new ATOM 0 HA ASN A 39 14.760 -0.292 -2.163 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.919 2.230 -3.808 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.152 1.482 -2.813 1.00 1.00 H new ATOM 0 HD21 ASN A 39 16.108 0.646 -6.774 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.178 1.955 -6.039 1.00 1.00 H new ATOM 601 N ASN A 40 12.001 1.059 -2.453 1.00 1.00 N ATOM 602 CA ASN A 40 10.941 1.838 -1.806 1.00 1.00 C ATOM 603 C ASN A 40 9.995 0.923 -1.031 1.00 1.00 C ATOM 604 O ASN A 40 9.032 1.387 -0.421 1.00 1.00 O ATOM 605 CB ASN A 40 10.146 2.618 -2.865 1.00 1.00 C ATOM 606 CG ASN A 40 9.933 4.074 -2.451 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.171 4.451 -1.305 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.477 4.918 -3.336 1.00 1.00 N ATOM 0 H ASN A 40 11.670 0.380 -3.139 1.00 1.00 H new ATOM 0 HA ASN A 40 11.404 2.536 -1.108 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.676 2.584 -3.817 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.180 2.139 -3.021 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.318 5.892 -3.077 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.280 4.604 -4.286 1.00 1.00 H new ATOM 615 N ILE A 41 10.273 -0.379 -1.058 1.00 1.00 N ATOM 616 CA ILE A 41 9.443 -1.344 -0.357 1.00 1.00 C ATOM 617 C ILE A 41 10.315 -2.336 0.406 1.00 1.00 C ATOM 618 O ILE A 41 11.226 -2.938 -0.161 1.00 1.00 O ATOM 619 CB ILE A 41 8.557 -2.085 -1.357 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.405 -3.046 -2.195 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.874 -1.075 -2.280 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.608 -3.494 -3.423 1.00 1.00 C ATOM 0 H ILE A 41 11.065 -0.784 -1.557 1.00 1.00 H new ATOM 0 HA ILE A 41 8.812 -0.815 0.357 1.00 1.00 H new ATOM 0 HB ILE A 41 7.803 -2.653 -0.812 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.328 -2.556 -2.506 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.690 -3.912 -1.597 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.242 -1.604 -2.994 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.262 -0.396 -1.687 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.631 -0.505 -2.819 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.212 -4.178 -4.019 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.698 -4.000 -3.101 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.346 -2.623 -4.024 1.00 1.00 H new ATOM 634 N ARG A 42 10.033 -2.493 1.696 1.00 1.00 N ATOM 635 CA ARG A 42 10.803 -3.408 2.532 1.00 1.00 C ATOM 636 C ARG A 42 9.877 -4.287 3.364 1.00 1.00 C ATOM 637 O ARG A 42 8.990 -3.788 4.058 1.00 1.00 O ATOM 638 CB ARG A 42 11.724 -2.614 3.459 1.00 1.00 C ATOM 639 CG ARG A 42 12.724 -3.563 4.120 1.00 1.00 C ATOM 640 CD ARG A 42 13.574 -2.788 5.129 1.00 1.00 C ATOM 641 NE ARG A 42 14.530 -1.934 4.433 1.00 1.00 N ATOM 642 CZ ARG A 42 15.432 -1.224 5.102 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.470 -1.281 6.406 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.277 -0.468 4.458 1.00 1.00 N ATOM 0 H ARG A 42 9.283 -2.002 2.182 1.00 1.00 H new ATOM 0 HA ARG A 42 11.401 -4.047 1.882 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.253 -1.847 2.893 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.136 -2.100 4.220 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.195 -4.374 4.621 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.363 -4.019 3.364 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.931 -2.182 5.767 1.00 1.00 H new ATOM 0 HD3 ARG A 42 14.104 -3.484 5.780 1.00 1.00 H new ATOM 0 HE ARG A 42 14.506 -1.881 3.415 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.808 -1.870 6.910 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.162 -0.736 6.920 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.246 -0.421 3.440 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.969 0.077 4.973 1.00 1.00 H new ATOM 658 N LEU A 43 10.093 -5.596 3.300 1.00 1.00 N ATOM 659 CA LEU A 43 9.274 -6.531 4.063 1.00 1.00 C ATOM 660 C LEU A 43 9.893 -6.755 5.439 1.00 1.00 C ATOM 661 O LEU A 43 11.115 -6.840 5.572 1.00 1.00 O ATOM 662 CB LEU A 43 9.172 -7.867 3.321 1.00 1.00 C ATOM 663 CG LEU A 43 7.761 -8.447 3.471 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.853 -7.864 2.388 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.820 -9.967 3.314 1.00 1.00 C ATOM 0 H LEU A 43 10.821 -6.031 2.733 1.00 1.00 H new ATOM 0 HA LEU A 43 8.275 -6.112 4.180 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.405 -7.724 2.266 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.906 -8.569 3.717 1.00 1.00 H new ATOM 0 HG LEU A 43 7.366 -8.193 4.455 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.849 -8.276 2.494 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.813 -6.780 2.492 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.248 -8.120 1.405 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.818 -10.383 3.420 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.214 -10.216 2.329 1.00 1.00 H new ATOM 0 HD23 LEU A 43 8.470 -10.387 4.081 1.00 1.00 H new ATOM 677 N ILE A 44 9.048 -6.844 6.458 1.00 1.00 N ATOM 678 CA ILE A 44 9.528 -7.051 7.818 1.00 1.00 C ATOM 679 C ILE A 44 9.368 -8.509 8.234 1.00 1.00 C ATOM 680 O ILE A 44 8.266 -8.953 8.556 1.00 1.00 O ATOM 681 CB ILE A 44 8.754 -6.153 8.781 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.240 -6.398 10.211 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.260 -6.469 8.691 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.424 -5.057 10.921 1.00 1.00 C ATOM 0 H ILE A 44 8.034 -6.777 6.370 1.00 1.00 H new ATOM 0 HA ILE A 44 10.587 -6.796 7.852 1.00 1.00 H new ATOM 0 HB ILE A 44 8.920 -5.110 8.513 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.520 -7.012 10.751 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.181 -6.947 10.198 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.710 -5.827 9.379 1.00 1.00 H new ATOM 0 HG22 ILE A 44 6.912 -6.293 7.673 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.092 -7.513 8.956 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.770 -5.229 11.940 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.160 -4.459 10.384 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.473 -4.525 10.946 1.00 1.00 H new ATOM 696 N LYS A 45 10.477 -9.246 8.228 1.00 1.00 N ATOM 697 CA LYS A 45 10.456 -10.655 8.607 1.00 1.00 C ATOM 698 C LYS A 45 11.477 -10.931 9.706 1.00 1.00 C ATOM 699 O LYS A 45 12.606 -10.445 9.658 1.00 1.00 O ATOM 700 CB LYS A 45 10.767 -11.532 7.392 1.00 1.00 C ATOM 701 CG LYS A 45 12.189 -11.250 6.906 1.00 1.00 C ATOM 702 CD LYS A 45 12.428 -11.964 5.574 1.00 1.00 C ATOM 703 CE LYS A 45 12.021 -11.047 4.415 1.00 1.00 C ATOM 704 NZ LYS A 45 12.830 -9.798 4.460 1.00 1.00 N ATOM 0 H LYS A 45 11.397 -8.892 7.966 1.00 1.00 H new ATOM 0 HA LYS A 45 9.460 -10.893 8.981 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.664 -12.585 7.655 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.053 -11.331 6.594 1.00 1.00 H new ATOM 0 HG2 LYS A 45 12.337 -10.177 6.786 1.00 1.00 H new ATOM 0 HG3 LYS A 45 12.912 -11.591 7.647 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.479 -12.239 5.481 1.00 1.00 H new ATOM 0 HD3 LYS A 45 11.852 -12.889 5.538 1.00 1.00 H new ATOM 0 HE2 LYS A 45 12.173 -11.557 3.464 1.00 1.00 H new ATOM 0 HE3 LYS A 45 10.960 -10.808 4.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.984 -9.449 3.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 12.324 -9.076 5.012 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.748 -9.995 4.907 1.00 1.00 H new ATOM 718 N ASP A 46 11.065 -11.717 10.694 1.00 1.00 N ATOM 719 CA ASP A 46 11.942 -12.067 11.808 1.00 1.00 C ATOM 720 C ASP A 46 12.332 -13.540 11.736 1.00 1.00 C ATOM 721 O ASP A 46 11.707 -14.323 11.023 1.00 1.00 O ATOM 722 CB ASP A 46 11.240 -11.786 13.139 1.00 1.00 C ATOM 723 CG ASP A 46 12.272 -11.455 14.209 1.00 1.00 C ATOM 724 OD1 ASP A 46 13.282 -12.137 14.261 1.00 1.00 O ATOM 725 OD2 ASP A 46 12.041 -10.522 14.960 1.00 1.00 O ATOM 0 H ASP A 46 10.131 -12.124 10.748 1.00 1.00 H new ATOM 0 HA ASP A 46 12.844 -11.458 11.741 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.543 -10.956 13.024 1.00 1.00 H new ATOM 0 HB3 ASP A 46 10.655 -12.654 13.442 1.00 1.00 H new ATOM 730 N LYS A 47 13.367 -13.909 12.483 1.00 1.00 N ATOM 731 CA LYS A 47 13.830 -15.293 12.497 1.00 1.00 C ATOM 732 C LYS A 47 12.807 -16.193 13.184 1.00 1.00 C ATOM 733 O LYS A 47 13.077 -17.365 13.447 1.00 1.00 O ATOM 734 CB LYS A 47 15.169 -15.387 13.229 1.00 1.00 C ATOM 735 CG LYS A 47 15.971 -16.568 12.675 1.00 1.00 C ATOM 736 CD LYS A 47 17.214 -16.793 13.539 1.00 1.00 C ATOM 737 CE LYS A 47 17.039 -18.070 14.363 1.00 1.00 C ATOM 738 NZ LYS A 47 17.094 -19.255 13.461 1.00 1.00 N ATOM 0 H LYS A 47 13.897 -13.276 13.082 1.00 1.00 H new ATOM 0 HA LYS A 47 13.955 -15.626 11.467 1.00 1.00 H new ATOM 0 HB2 LYS A 47 15.730 -14.461 13.103 1.00 1.00 H new ATOM 0 HB3 LYS A 47 15.003 -15.516 14.299 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.355 -17.467 12.665 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.263 -16.371 11.644 1.00 1.00 H new ATOM 0 HD2 LYS A 47 18.099 -16.873 12.908 1.00 1.00 H new ATOM 0 HD3 LYS A 47 17.370 -15.940 14.199 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.822 -18.138 15.119 1.00 1.00 H new ATOM 0 HE3 LYS A 47 16.086 -18.046 14.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 17.398 -20.090 14.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 16.151 -19.428 13.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.772 -19.075 12.693 1.00 1.00 H new ATOM 752 N GLN A 48 11.634 -15.638 13.472 1.00 1.00 N ATOM 753 CA GLN A 48 10.580 -16.402 14.132 1.00 1.00 C ATOM 754 C GLN A 48 9.880 -17.322 13.136 1.00 1.00 C ATOM 755 O GLN A 48 9.842 -18.538 13.324 1.00 1.00 O ATOM 756 CB GLN A 48 9.559 -15.453 14.759 1.00 1.00 C ATOM 757 CG GLN A 48 9.214 -15.932 16.170 1.00 1.00 C ATOM 758 CD GLN A 48 8.701 -17.367 16.121 1.00 1.00 C ATOM 759 OE1 GLN A 48 7.739 -17.659 15.411 1.00 1.00 O ATOM 760 NE2 GLN A 48 9.289 -18.286 16.838 1.00 1.00 N ATOM 0 H GLN A 48 11.390 -14.670 13.261 1.00 1.00 H new ATOM 0 HA GLN A 48 11.035 -17.011 14.913 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.962 -14.441 14.796 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.658 -15.415 14.146 1.00 1.00 H new ATOM 0 HG2 GLN A 48 10.095 -15.873 16.809 1.00 1.00 H new ATOM 0 HG3 GLN A 48 8.458 -15.281 16.609 1.00 1.00 H new ATOM 0 HE21 GLN A 48 10.086 -18.042 17.426 1.00 1.00 H new ATOM 0 HE22 GLN A 48 8.951 -19.248 16.810 1.00 1.00 H new ATOM 769 N THR A 49 9.329 -16.731 12.078 1.00 1.00 N ATOM 770 CA THR A 49 8.631 -17.502 11.053 1.00 1.00 C ATOM 771 C THR A 49 9.402 -17.453 9.735 1.00 1.00 C ATOM 772 O THR A 49 8.916 -17.906 8.701 1.00 1.00 O ATOM 773 CB THR A 49 7.214 -16.952 10.857 1.00 1.00 C ATOM 774 OG1 THR A 49 6.678 -16.574 12.118 1.00 1.00 O ATOM 775 CG2 THR A 49 6.328 -18.029 10.229 1.00 1.00 C ATOM 0 H THR A 49 9.352 -15.725 11.909 1.00 1.00 H new ATOM 0 HA THR A 49 8.565 -18.540 11.379 1.00 1.00 H new ATOM 0 HB THR A 49 7.249 -16.084 10.199 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.772 -16.220 11.996 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.321 -17.636 10.090 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.740 -18.321 9.263 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.291 -18.898 10.886 1.00 1.00 H new ATOM 783 N GLN A 50 10.614 -16.908 9.790 1.00 1.00 N ATOM 784 CA GLN A 50 11.464 -16.810 8.606 1.00 1.00 C ATOM 785 C GLN A 50 10.724 -16.153 7.441 1.00 1.00 C ATOM 786 O GLN A 50 10.943 -16.501 6.282 1.00 1.00 O ATOM 787 CB GLN A 50 11.939 -18.205 8.192 1.00 1.00 C ATOM 788 CG GLN A 50 13.416 -18.145 7.798 1.00 1.00 C ATOM 789 CD GLN A 50 14.279 -17.959 9.040 1.00 1.00 C ATOM 790 OE1 GLN A 50 15.505 -18.048 8.965 1.00 1.00 O ATOM 791 NE2 GLN A 50 13.710 -17.706 10.187 1.00 1.00 N ATOM 0 H GLN A 50 11.030 -16.528 10.640 1.00 1.00 H new ATOM 0 HA GLN A 50 12.322 -16.187 8.858 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.799 -18.907 9.014 1.00 1.00 H new ATOM 0 HB3 GLN A 50 11.343 -18.570 7.356 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.701 -19.061 7.281 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.582 -17.322 7.103 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.694 -17.633 10.247 1.00 1.00 H new ATOM 0 HE22 GLN A 50 14.281 -17.582 11.023 1.00 1.00 H new ATOM 800 N GLN A 51 9.861 -15.192 7.757 1.00 1.00 N ATOM 801 CA GLN A 51 9.102 -14.480 6.729 1.00 1.00 C ATOM 802 C GLN A 51 8.236 -13.392 7.358 1.00 1.00 C ATOM 803 O GLN A 51 8.154 -13.284 8.581 1.00 1.00 O ATOM 804 CB GLN A 51 8.210 -15.449 5.941 1.00 1.00 C ATOM 805 CG GLN A 51 7.321 -16.244 6.900 1.00 1.00 C ATOM 806 CD GLN A 51 7.386 -17.734 6.572 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.354 -18.403 6.522 1.00 1.00 O ATOM 808 NE2 GLN A 51 8.543 -18.295 6.346 1.00 1.00 N ATOM 0 H GLN A 51 9.669 -14.888 8.712 1.00 1.00 H new ATOM 0 HA GLN A 51 9.817 -14.020 6.046 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.592 -14.894 5.235 1.00 1.00 H new ATOM 0 HB3 GLN A 51 8.828 -16.130 5.356 1.00 1.00 H new ATOM 0 HG2 GLN A 51 7.643 -16.077 7.928 1.00 1.00 H new ATOM 0 HG3 GLN A 51 6.292 -15.893 6.827 1.00 1.00 H new ATOM 0 HE21 GLN A 51 9.397 -17.738 6.388 1.00 1.00 H new ATOM 0 HE22 GLN A 51 8.593 -19.290 6.127 1.00 1.00 H new ATOM 817 N ASN A 52 7.603 -12.587 6.507 1.00 1.00 N ATOM 818 CA ASN A 52 6.747 -11.499 6.972 1.00 1.00 C ATOM 819 C ASN A 52 5.991 -11.889 8.239 1.00 1.00 C ATOM 820 O ASN A 52 5.453 -12.992 8.337 1.00 1.00 O ATOM 821 CB ASN A 52 5.736 -11.138 5.887 1.00 1.00 C ATOM 822 CG ASN A 52 4.411 -11.830 6.179 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.446 -11.183 6.584 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.311 -13.119 6.005 1.00 1.00 N ATOM 0 H ASN A 52 7.667 -12.668 5.492 1.00 1.00 H new ATOM 0 HA ASN A 52 7.386 -10.645 7.195 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.595 -10.058 5.851 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.110 -11.443 4.910 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.431 -13.594 6.205 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.113 -13.652 5.669 1.00 1.00 H new ATOM 831 N ARG A 53 5.948 -10.975 9.203 1.00 1.00 N ATOM 832 CA ARG A 53 5.247 -11.237 10.455 1.00 1.00 C ATOM 833 C ARG A 53 3.768 -10.869 10.330 1.00 1.00 C ATOM 834 O ARG A 53 3.113 -10.553 11.322 1.00 1.00 O ATOM 835 CB ARG A 53 5.880 -10.432 11.591 1.00 1.00 C ATOM 836 CG ARG A 53 7.161 -11.123 12.060 1.00 1.00 C ATOM 837 CD ARG A 53 7.891 -10.221 13.057 1.00 1.00 C ATOM 838 NE ARG A 53 6.952 -9.282 13.665 1.00 1.00 N ATOM 839 CZ ARG A 53 6.207 -9.633 14.708 1.00 1.00 C ATOM 840 NH1 ARG A 53 6.315 -10.833 15.213 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.366 -8.781 15.225 1.00 1.00 N ATOM 0 H ARG A 53 6.385 -10.055 9.143 1.00 1.00 H new ATOM 0 HA ARG A 53 5.329 -12.301 10.677 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.104 -9.421 11.252 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.179 -10.342 12.421 1.00 1.00 H new ATOM 0 HG2 ARG A 53 6.922 -12.079 12.526 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.805 -11.336 11.207 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.363 -10.827 13.830 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.687 -9.675 12.550 1.00 1.00 H new ATOM 0 HE ARG A 53 6.867 -8.340 13.282 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.971 -11.500 14.807 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.743 -11.103 16.014 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.280 -7.845 14.829 1.00 1.00 H new ATOM 0 HH22 ARG A 53 4.794 -9.051 16.026 1.00 1.00 H new ATOM 855 N GLY A 54 3.245 -10.924 9.107 1.00 1.00 N ATOM 856 CA GLY A 54 1.838 -10.605 8.874 1.00 1.00 C ATOM 857 C GLY A 54 1.642 -9.158 8.412 1.00 1.00 C ATOM 858 O GLY A 54 0.508 -8.701 8.260 1.00 1.00 O ATOM 0 H GLY A 54 3.767 -11.183 8.270 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.433 -11.283 8.122 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.273 -10.772 9.791 1.00 1.00 H new ATOM 862 N PHE A 55 2.740 -8.438 8.186 1.00 1.00 N ATOM 863 CA PHE A 55 2.649 -7.047 7.738 1.00 1.00 C ATOM 864 C PHE A 55 3.741 -6.732 6.719 1.00 1.00 C ATOM 865 O PHE A 55 4.694 -7.494 6.557 1.00 1.00 O ATOM 866 CB PHE A 55 2.773 -6.093 8.931 1.00 1.00 C ATOM 867 CG PHE A 55 2.767 -6.874 10.222 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.574 -7.427 10.704 1.00 1.00 C ATOM 869 CD2 PHE A 55 3.957 -7.042 10.940 1.00 1.00 C ATOM 870 CE1 PHE A 55 1.572 -8.146 11.905 1.00 1.00 C ATOM 871 CE2 PHE A 55 3.954 -7.762 12.141 1.00 1.00 C ATOM 872 CZ PHE A 55 2.762 -8.314 12.623 1.00 1.00 C ATOM 0 H PHE A 55 3.691 -8.787 8.303 1.00 1.00 H new ATOM 0 HA PHE A 55 1.676 -6.910 7.266 1.00 1.00 H new ATOM 0 HB2 PHE A 55 3.694 -5.515 8.851 1.00 1.00 H new ATOM 0 HB3 PHE A 55 1.948 -5.380 8.924 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.656 -7.299 10.149 1.00 1.00 H new ATOM 0 HD2 PHE A 55 4.877 -6.616 10.568 1.00 1.00 H new ATOM 0 HE1 PHE A 55 0.652 -8.571 12.278 1.00 1.00 H new ATOM 0 HE2 PHE A 55 4.872 -7.891 12.695 1.00 1.00 H new ATOM 0 HZ PHE A 55 2.760 -8.870 13.549 1.00 1.00 H new ATOM 882 N ALA A 56 3.589 -5.602 6.028 1.00 1.00 N ATOM 883 CA ALA A 56 4.563 -5.190 5.020 1.00 1.00 C ATOM 884 C ALA A 56 4.518 -3.679 4.817 1.00 1.00 C ATOM 885 O ALA A 56 3.458 -3.061 4.917 1.00 1.00 O ATOM 886 CB ALA A 56 4.261 -5.890 3.694 1.00 1.00 C ATOM 0 H ALA A 56 2.806 -4.960 6.147 1.00 1.00 H new ATOM 0 HA ALA A 56 5.558 -5.470 5.365 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.990 -5.580 2.945 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.318 -6.970 3.831 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.259 -5.620 3.360 1.00 1.00 H new ATOM 892 N PHE A 57 5.676 -3.091 4.527 1.00 1.00 N ATOM 893 CA PHE A 57 5.761 -1.650 4.307 1.00 1.00 C ATOM 894 C PHE A 57 5.935 -1.346 2.822 1.00 1.00 C ATOM 895 O PHE A 57 6.759 -1.960 2.145 1.00 1.00 O ATOM 896 CB PHE A 57 6.942 -1.073 5.090 1.00 1.00 C ATOM 897 CG PHE A 57 6.438 -0.385 6.337 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.985 0.938 6.273 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.426 -1.071 7.557 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.521 1.575 7.430 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.963 -0.434 8.714 1.00 1.00 C ATOM 902 CZ PHE A 57 5.510 0.890 8.650 1.00 1.00 C ATOM 0 H PHE A 57 6.563 -3.587 4.439 1.00 1.00 H new ATOM 0 HA PHE A 57 4.835 -1.191 4.655 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.637 -1.869 5.358 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.491 -0.365 4.469 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.993 1.467 5.331 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.774 -2.092 7.606 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.171 2.596 7.381 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.955 -0.963 9.656 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.152 1.382 9.542 1.00 1.00 H new ATOM 912 N VAL A 58 5.152 -0.395 2.320 1.00 1.00 N ATOM 913 CA VAL A 58 5.226 -0.018 0.913 1.00 1.00 C ATOM 914 C VAL A 58 5.151 1.497 0.758 1.00 1.00 C ATOM 915 O VAL A 58 4.188 2.124 1.196 1.00 1.00 O ATOM 916 CB VAL A 58 4.073 -0.662 0.135 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.622 -1.359 -1.111 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.362 -1.688 1.019 1.00 1.00 C ATOM 0 H VAL A 58 4.463 0.125 2.863 1.00 1.00 H new ATOM 0 HA VAL A 58 6.178 -0.370 0.516 1.00 1.00 H new ATOM 0 HB VAL A 58 3.365 0.112 -0.162 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.801 -1.817 -1.663 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.124 -0.628 -1.745 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.333 -2.130 -0.813 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.543 -2.143 0.462 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.069 -2.461 1.321 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.966 -1.192 1.905 1.00 1.00 H new ATOM 928 N GLN A 59 6.168 2.078 0.125 1.00 1.00 N ATOM 929 CA GLN A 59 6.201 3.523 -0.089 1.00 1.00 C ATOM 930 C GLN A 59 6.013 3.836 -1.568 1.00 1.00 C ATOM 931 O GLN A 59 6.360 3.027 -2.428 1.00 1.00 O ATOM 932 CB GLN A 59 7.532 4.098 0.400 1.00 1.00 C ATOM 933 CG GLN A 59 7.570 5.603 0.128 1.00 1.00 C ATOM 934 CD GLN A 59 8.568 6.275 1.066 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.571 6.004 2.267 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.420 7.139 0.588 1.00 1.00 N ATOM 0 H GLN A 59 6.974 1.575 -0.246 1.00 1.00 H new ATOM 0 HA GLN A 59 5.389 3.980 0.477 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.652 3.908 1.466 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.361 3.605 -0.107 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.851 5.787 -0.909 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.578 6.032 0.270 1.00 1.00 H new ATOM 0 HE21 GLN A 59 9.416 7.362 -0.407 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.090 7.592 1.209 1.00 1.00 H new ATOM 945 N LEU A 60 5.463 5.014 -1.860 1.00 1.00 N ATOM 946 CA LEU A 60 5.230 5.418 -3.244 1.00 1.00 C ATOM 947 C LEU A 60 6.204 6.530 -3.635 1.00 1.00 C ATOM 948 O LEU A 60 6.846 7.134 -2.778 1.00 1.00 O ATOM 949 CB LEU A 60 3.786 5.913 -3.418 1.00 1.00 C ATOM 950 CG LEU A 60 2.838 4.752 -3.764 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.185 4.168 -5.136 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.940 3.647 -2.708 1.00 1.00 C ATOM 0 H LEU A 60 5.173 5.700 -1.163 1.00 1.00 H new ATOM 0 HA LEU A 60 5.390 4.555 -3.890 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.452 6.398 -2.501 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.749 6.664 -4.207 1.00 1.00 H new ATOM 0 HG LEU A 60 1.820 5.142 -3.784 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.505 3.348 -5.365 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.088 4.943 -5.896 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.210 3.797 -5.125 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.263 2.833 -2.967 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.963 3.271 -2.672 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.667 4.050 -1.733 1.00 1.00 H new ATOM 964 N SER A 61 6.314 6.788 -4.935 1.00 1.00 N ATOM 965 CA SER A 61 7.219 7.822 -5.429 1.00 1.00 C ATOM 966 C SER A 61 6.829 9.197 -4.894 1.00 1.00 C ATOM 967 O SER A 61 7.693 10.021 -4.594 1.00 1.00 O ATOM 968 CB SER A 61 7.200 7.844 -6.957 1.00 1.00 C ATOM 969 OG SER A 61 7.738 6.625 -7.451 1.00 1.00 O ATOM 0 H SER A 61 5.791 6.299 -5.662 1.00 1.00 H new ATOM 0 HA SER A 61 8.224 7.587 -5.077 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.180 7.977 -7.318 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.782 8.688 -7.327 1.00 1.00 H new ATOM 0 HG SER A 61 7.726 6.635 -8.431 1.00 1.00 H new ATOM 975 N SER A 62 5.528 9.434 -4.781 1.00 1.00 N ATOM 976 CA SER A 62 5.025 10.712 -4.287 1.00 1.00 C ATOM 977 C SER A 62 4.290 10.522 -2.963 1.00 1.00 C ATOM 978 O SER A 62 4.118 9.398 -2.494 1.00 1.00 O ATOM 979 CB SER A 62 4.076 11.328 -5.315 1.00 1.00 C ATOM 980 OG SER A 62 4.795 11.601 -6.511 1.00 1.00 O ATOM 0 H SER A 62 4.802 8.760 -5.024 1.00 1.00 H new ATOM 0 HA SER A 62 5.872 11.379 -4.127 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.251 10.646 -5.520 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.640 12.246 -4.921 1.00 1.00 H new ATOM 0 HG SER A 62 4.190 11.995 -7.174 1.00 1.00 H new ATOM 986 N ALA A 63 3.864 11.630 -2.364 1.00 1.00 N ATOM 987 CA ALA A 63 3.154 11.573 -1.092 1.00 1.00 C ATOM 988 C ALA A 63 1.660 11.356 -1.315 1.00 1.00 C ATOM 989 O ALA A 63 0.987 10.726 -0.500 1.00 1.00 O ATOM 990 CB ALA A 63 3.372 12.870 -0.312 1.00 1.00 C ATOM 0 H ALA A 63 3.997 12.571 -2.736 1.00 1.00 H new ATOM 0 HA ALA A 63 3.548 10.733 -0.519 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.838 12.818 0.637 1.00 1.00 H new ATOM 0 HB2 ALA A 63 4.437 13.006 -0.122 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.997 13.712 -0.894 1.00 1.00 H new ATOM 996 N MET A 64 1.148 11.882 -2.422 1.00 1.00 N ATOM 997 CA MET A 64 -0.268 11.740 -2.739 1.00 1.00 C ATOM 998 C MET A 64 -0.561 10.336 -3.258 1.00 1.00 C ATOM 999 O MET A 64 -1.565 9.724 -2.891 1.00 1.00 O ATOM 1000 CB MET A 64 -0.676 12.773 -3.790 1.00 1.00 C ATOM 1001 CG MET A 64 -2.067 12.434 -4.329 1.00 1.00 C ATOM 1002 SD MET A 64 -2.926 13.961 -4.780 1.00 1.00 S ATOM 1003 CE MET A 64 -3.823 13.304 -6.209 1.00 1.00 C ATOM 0 H MET A 64 1.688 12.407 -3.110 1.00 1.00 H new ATOM 0 HA MET A 64 -0.844 11.906 -1.828 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.678 13.771 -3.352 1.00 1.00 H new ATOM 0 HB3 MET A 64 0.048 12.784 -4.605 1.00 1.00 H new ATOM 0 HG2 MET A 64 -1.983 11.781 -5.198 1.00 1.00 H new ATOM 0 HG3 MET A 64 -2.638 11.891 -3.576 1.00 1.00 H new ATOM 0 HE1 MET A 64 -4.417 14.098 -6.662 1.00 1.00 H new ATOM 0 HE2 MET A 64 -3.112 12.920 -6.940 1.00 1.00 H new ATOM 0 HE3 MET A 64 -4.482 12.498 -5.886 1.00 1.00 H new ATOM 1013 N ASP A 65 0.322 9.832 -4.113 1.00 1.00 N ATOM 1014 CA ASP A 65 0.151 8.498 -4.674 1.00 1.00 C ATOM 1015 C ASP A 65 -0.260 7.509 -3.588 1.00 1.00 C ATOM 1016 O ASP A 65 -0.866 6.476 -3.872 1.00 1.00 O ATOM 1017 CB ASP A 65 1.457 8.034 -5.323 1.00 1.00 C ATOM 1018 CG ASP A 65 1.463 8.393 -6.804 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.014 9.479 -7.134 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.921 7.578 -7.588 1.00 1.00 O ATOM 0 H ASP A 65 1.158 10.323 -4.431 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.635 8.539 -5.428 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.306 8.501 -4.824 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.570 6.957 -5.202 1.00 1.00 H new ATOM 1025 N ALA A 66 0.075 7.833 -2.343 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.264 6.965 -1.220 1.00 1.00 C ATOM 1027 C ALA A 66 -1.770 6.961 -0.983 1.00 1.00 C ATOM 1028 O ALA A 66 -2.416 5.915 -1.058 1.00 1.00 O ATOM 1029 CB ALA A 66 0.450 7.443 0.046 1.00 1.00 C ATOM 0 H ALA A 66 0.577 8.683 -2.087 1.00 1.00 H new ATOM 0 HA ALA A 66 0.060 5.952 -1.459 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.191 6.789 0.879 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.528 7.418 -0.113 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.140 8.463 0.275 1.00 1.00 H new ATOM 1035 N SER A 67 -2.324 8.133 -0.699 1.00 1.00 N ATOM 1036 CA SER A 67 -3.756 8.250 -0.456 1.00 1.00 C ATOM 1037 C SER A 67 -4.542 7.825 -1.691 1.00 1.00 C ATOM 1038 O SER A 67 -5.629 7.260 -1.583 1.00 1.00 O ATOM 1039 CB SER A 67 -4.109 9.692 -0.094 1.00 1.00 C ATOM 1040 OG SER A 67 -3.337 10.579 -0.893 1.00 1.00 O ATOM 0 H SER A 67 -1.808 9.010 -0.632 1.00 1.00 H new ATOM 0 HA SER A 67 -4.021 7.595 0.374 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.172 9.870 -0.256 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.913 9.872 0.963 1.00 1.00 H new ATOM 0 HG SER A 67 -3.562 11.505 -0.665 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.982 8.105 -2.863 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.632 7.750 -4.114 1.00 1.00 C ATOM 1048 C GLN A 68 -4.752 6.236 -4.251 1.00 1.00 C ATOM 1049 O GLN A 68 -5.846 5.706 -4.453 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.826 8.308 -5.290 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.692 9.275 -6.099 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.965 9.681 -7.377 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.236 8.879 -7.960 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -4.123 10.887 -7.849 1.00 1.00 N ATOM 0 H GLN A 68 -3.083 8.575 -2.970 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.634 8.180 -4.117 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.937 8.821 -4.923 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.483 7.493 -5.927 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.644 8.804 -6.346 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.919 10.159 -5.503 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.728 11.549 -7.364 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -3.642 11.167 -8.703 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.623 5.543 -4.146 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.618 4.090 -4.265 1.00 1.00 C ATOM 1065 C LEU A 69 -4.554 3.464 -3.235 1.00 1.00 C ATOM 1066 O LEU A 69 -5.010 2.332 -3.403 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.202 3.548 -4.060 1.00 1.00 C ATOM 1068 CG LEU A 69 -2.144 2.084 -4.508 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -1.321 1.976 -5.790 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -1.490 1.240 -3.412 1.00 1.00 C ATOM 0 H LEU A 69 -2.707 5.960 -3.980 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.965 3.829 -5.265 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.488 4.142 -4.630 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.919 3.630 -3.011 1.00 1.00 H new ATOM 0 HG LEU A 69 -3.155 1.721 -4.692 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -1.279 0.935 -6.109 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -1.785 2.577 -6.572 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.310 2.339 -5.605 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -1.449 0.198 -3.731 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -0.479 1.603 -3.228 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -2.076 1.316 -2.496 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.836 4.205 -2.171 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.718 3.707 -1.121 1.00 1.00 C ATOM 1084 C LEU A 70 -7.178 3.840 -1.545 1.00 1.00 C ATOM 1085 O LEU A 70 -8.005 2.983 -1.236 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.484 4.484 0.178 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.959 3.654 1.376 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.767 2.935 2.009 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.600 4.579 2.414 1.00 1.00 C ATOM 0 H LEU A 70 -4.471 5.144 -2.012 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.494 2.654 -0.953 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.425 4.720 0.285 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.020 5.432 0.146 1.00 1.00 H new ATOM 0 HG LEU A 70 -6.689 2.919 1.038 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -5.108 2.346 2.860 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -4.307 2.276 1.273 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -4.036 3.670 2.346 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.938 3.990 3.267 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -5.868 5.314 2.748 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -7.451 5.093 1.967 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.486 4.920 -2.255 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.848 5.156 -2.718 1.00 1.00 C ATOM 1103 C GLN A 71 -9.118 4.374 -4.001 1.00 1.00 C ATOM 1104 O GLN A 71 -10.257 3.999 -4.281 1.00 1.00 O ATOM 1105 CB GLN A 71 -9.060 6.649 -2.967 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.429 6.869 -3.608 1.00 1.00 C ATOM 1107 CD GLN A 71 -11.016 8.197 -3.137 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -12.078 8.223 -2.516 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.379 9.306 -3.394 1.00 1.00 N ATOM 0 H GLN A 71 -6.816 5.641 -2.521 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.542 4.817 -1.949 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.994 7.198 -2.028 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.276 7.035 -3.618 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.336 6.867 -4.694 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -11.099 6.051 -3.344 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.499 9.281 -3.909 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.761 10.198 -3.080 1.00 1.00 H new ATOM 1118 N ILE A 72 -8.065 4.132 -4.777 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.203 3.395 -6.027 1.00 1.00 C ATOM 1120 C ILE A 72 -8.491 1.923 -5.748 1.00 1.00 C ATOM 1121 O ILE A 72 -9.249 1.281 -6.475 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.921 3.527 -6.852 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.971 4.824 -7.662 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.785 2.337 -7.807 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.585 5.125 -8.237 1.00 1.00 C ATOM 0 H ILE A 72 -7.114 4.433 -4.564 1.00 1.00 H new ATOM 0 HA ILE A 72 -9.038 3.814 -6.590 1.00 1.00 H new ATOM 0 HB ILE A 72 -6.064 3.544 -6.179 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.698 4.733 -8.469 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.299 5.648 -7.028 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.869 2.441 -8.389 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.747 1.412 -7.232 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.642 2.311 -8.480 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.623 6.049 -8.814 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.869 5.235 -7.422 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.274 4.306 -8.885 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.882 1.393 -4.691 1.00 1.00 N ATOM 1138 CA LEU A 73 -8.085 -0.007 -4.332 1.00 1.00 C ATOM 1139 C LEU A 73 -9.362 -0.173 -3.512 1.00 1.00 C ATOM 1140 O LEU A 73 -10.048 -1.189 -3.617 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.888 -0.526 -3.528 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.915 -2.061 -3.491 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -6.633 -2.641 -4.885 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.849 -2.562 -2.516 1.00 1.00 C ATOM 0 H LEU A 73 -7.251 1.905 -4.074 1.00 1.00 H new ATOM 0 HA LEU A 73 -8.179 -0.584 -5.252 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.958 -0.180 -3.978 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.919 -0.128 -2.514 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.904 -2.385 -3.167 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -6.656 -3.730 -4.838 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -7.392 -2.292 -5.585 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.650 -2.314 -5.223 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.865 -3.651 -2.487 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.867 -2.222 -2.845 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.054 -2.170 -1.520 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.676 0.831 -2.696 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.880 0.775 -1.867 1.00 1.00 C ATOM 1158 C GLN A 74 -12.116 1.110 -2.696 1.00 1.00 C ATOM 1159 O GLN A 74 -13.246 0.912 -2.252 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.775 1.754 -0.692 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.676 1.288 0.268 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.247 2.438 1.172 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.450 3.605 0.835 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.659 2.178 2.308 1.00 1.00 N ATOM 0 H GLN A 74 -9.123 1.682 -2.591 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.972 -0.239 -1.478 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.551 2.756 -1.059 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.729 1.813 -0.168 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -10.039 0.456 0.872 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.820 0.921 -0.298 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.491 1.211 2.586 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.367 2.942 2.918 1.00 1.00 H new ATOM 1173 N SER A 75 -11.893 1.613 -3.906 1.00 1.00 N ATOM 1174 CA SER A 75 -12.997 1.966 -4.789 1.00 1.00 C ATOM 1175 C SER A 75 -13.692 0.706 -5.288 1.00 1.00 C ATOM 1176 O SER A 75 -14.887 0.714 -5.581 1.00 1.00 O ATOM 1177 CB SER A 75 -12.478 2.773 -5.981 1.00 1.00 C ATOM 1178 OG SER A 75 -13.357 2.596 -7.085 1.00 1.00 O ATOM 0 H SER A 75 -10.965 1.784 -4.294 1.00 1.00 H new ATOM 0 HA SER A 75 -13.711 2.571 -4.231 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.412 3.829 -5.719 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.472 2.447 -6.246 1.00 1.00 H new ATOM 0 HG SER A 75 -13.029 3.113 -7.850 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.930 -0.379 -5.373 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.475 -1.652 -5.831 1.00 1.00 C ATOM 1186 C LEU A 76 -14.347 -2.269 -4.740 1.00 1.00 C ATOM 1187 O LEU A 76 -13.998 -2.233 -3.561 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.339 -2.616 -6.196 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.445 -1.992 -7.276 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -10.056 -2.629 -7.219 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -12.051 -2.240 -8.663 1.00 1.00 C ATOM 0 H LEU A 76 -11.939 -0.403 -5.132 1.00 1.00 H new ATOM 0 HA LEU A 76 -14.084 -1.473 -6.717 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.747 -2.845 -5.310 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.752 -3.558 -6.555 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.369 -0.919 -7.098 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.421 -2.186 -7.986 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.615 -2.454 -6.237 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.140 -3.702 -7.393 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.411 -1.794 -9.425 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.131 -3.313 -8.839 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -13.042 -1.789 -8.713 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.488 -2.824 -5.139 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.402 -3.433 -4.176 1.00 1.00 C ATOM 1205 C HIS A 77 -15.726 -4.575 -3.413 1.00 1.00 C ATOM 1206 O HIS A 77 -15.716 -4.568 -2.183 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.678 -3.923 -4.877 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.073 -5.280 -4.354 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.274 -6.364 -5.194 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -18.326 -5.737 -3.085 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -18.632 -7.410 -4.426 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -18.678 -7.082 -3.133 1.00 1.00 N ATOM 0 H HIS A 77 -15.800 -2.865 -6.109 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.681 -2.670 -3.449 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -18.488 -3.212 -4.712 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.513 -3.974 -5.953 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -18.262 -5.143 -2.186 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -18.855 -8.395 -4.809 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -18.919 -7.688 -2.349 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.156 -5.545 -4.093 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.467 -6.685 -3.421 1.00 1.00 C ATOM 1222 C PRO A 78 -13.058 -6.300 -2.942 1.00 1.00 C ATOM 1223 O PRO A 78 -12.187 -6.026 -3.766 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.381 -7.739 -4.525 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.306 -6.962 -5.794 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.100 -5.674 -5.563 1.00 1.00 C ATOM 0 HA PRO A 78 -14.996 -7.022 -2.530 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.504 -8.373 -4.398 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.252 -8.394 -4.514 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.271 -6.739 -6.051 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.725 -7.532 -6.623 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.609 -4.815 -6.020 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.098 -5.738 -5.996 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.803 -6.264 -1.647 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.456 -5.896 -1.120 1.00 1.00 C ATOM 1236 C PRO A 79 -10.340 -6.656 -1.831 1.00 1.00 C ATOM 1237 O PRO A 79 -10.594 -7.437 -2.748 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.518 -6.285 0.359 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.965 -6.248 0.721 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.749 -6.563 -0.553 1.00 1.00 C ATOM 0 HA PRO A 79 -11.232 -4.841 -1.276 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.098 -7.278 0.522 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -10.942 -5.591 0.972 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.187 -6.976 1.501 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.240 -5.268 1.112 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.068 -7.605 -0.576 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.649 -5.953 -0.627 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.102 -6.429 -1.403 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.963 -7.106 -2.007 1.00 1.00 C ATOM 1250 C LEU A 80 -7.860 -8.529 -1.466 1.00 1.00 C ATOM 1251 O LEU A 80 -7.765 -8.732 -0.257 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.676 -6.329 -1.704 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.471 -7.009 -2.370 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.653 -7.024 -3.892 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.198 -6.231 -2.026 1.00 1.00 C ATOM 0 H LEU A 80 -8.864 -5.787 -0.647 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.102 -7.150 -3.087 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.769 -5.305 -2.065 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.521 -6.275 -0.626 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.393 -8.033 -2.006 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.794 -7.508 -4.356 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.560 -7.574 -4.145 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.735 -6.001 -4.259 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.340 -6.711 -2.497 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.287 -5.208 -2.391 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.059 -6.220 -0.945 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.890 -9.507 -2.370 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.809 -10.910 -1.972 1.00 1.00 C ATOM 1269 C LYS A 81 -6.600 -11.584 -2.611 1.00 1.00 C ATOM 1270 O LYS A 81 -6.521 -11.717 -3.832 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.089 -11.644 -2.388 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.240 -12.944 -1.583 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.140 -13.941 -1.964 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.651 -15.365 -1.736 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.503 -16.266 -1.441 1.00 1.00 N ATOM 0 H LYS A 81 -7.969 -9.355 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.699 -10.955 -0.888 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.955 -11.003 -2.223 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.058 -11.869 -3.454 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.188 -12.726 -0.516 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.219 -13.384 -1.772 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.856 -13.806 -3.008 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.247 -13.762 -1.365 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.360 -15.380 -0.908 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.185 -15.716 -2.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.438 -16.998 -2.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.623 -15.713 -1.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.645 -16.718 -0.515 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.670 -12.017 -1.767 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.466 -12.692 -2.237 1.00 1.00 C ATOM 1291 C ILE A 82 -4.456 -14.128 -1.725 1.00 1.00 C ATOM 1292 O ILE A 82 -4.772 -14.372 -0.561 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.225 -11.947 -1.731 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.242 -10.514 -2.277 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.957 -12.658 -2.212 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.116 -9.704 -1.632 1.00 1.00 C ATOM 0 H ILE A 82 -5.727 -11.913 -0.754 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.455 -12.700 -3.327 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.233 -11.930 -0.641 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.120 -10.526 -3.360 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.205 -10.047 -2.069 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.080 -12.123 -1.849 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.944 -13.678 -1.829 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.943 -12.680 -3.302 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.131 -8.686 -2.022 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.257 -9.681 -0.551 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.157 -10.167 -1.862 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.109 -15.070 -2.605 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.074 -16.486 -2.240 1.00 1.00 C ATOM 1310 C ASP A 83 -3.673 -16.667 -0.779 1.00 1.00 C ATOM 1311 O ASP A 83 -2.503 -16.526 -0.423 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.081 -17.229 -3.135 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.615 -17.301 -4.561 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.718 -16.829 -4.783 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -2.912 -17.824 -5.410 1.00 1.00 O ATOM 0 H ASP A 83 -3.849 -14.878 -3.572 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.075 -16.896 -2.378 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.118 -16.719 -3.124 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.914 -18.235 -2.750 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.657 -16.973 0.059 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.404 -17.165 1.481 1.00 1.00 C ATOM 1322 C GLY A 84 -5.562 -16.631 2.318 1.00 1.00 C ATOM 1323 O GLY A 84 -6.154 -17.362 3.113 1.00 1.00 O ATOM 0 H GLY A 84 -5.631 -17.093 -0.220 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.259 -18.225 1.689 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.482 -16.656 1.762 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.880 -15.352 2.137 1.00 1.00 N ATOM 1328 CA LYS A 85 -6.968 -14.731 2.884 1.00 1.00 C ATOM 1329 C LYS A 85 -7.223 -13.312 2.385 1.00 1.00 C ATOM 1330 O LYS A 85 -6.529 -12.823 1.494 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.622 -14.692 4.374 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.105 -14.586 4.547 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.789 -13.906 5.880 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.347 -14.224 6.284 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.005 -13.480 7.529 1.00 1.00 N ATOM 0 H LYS A 85 -5.403 -14.730 1.484 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.870 -15.325 2.733 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.112 -13.842 4.849 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.992 -15.591 4.867 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.655 -15.578 4.517 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.674 -14.016 3.724 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -4.924 -12.828 5.792 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.479 -14.252 6.650 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.231 -15.296 6.444 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.663 -13.946 5.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -1.994 -13.236 7.521 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.571 -12.609 7.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.211 -14.075 8.357 1.00 1.00 H new ATOM 1349 N THR A 86 -8.226 -12.656 2.963 1.00 1.00 N ATOM 1350 CA THR A 86 -8.566 -11.293 2.570 1.00 1.00 C ATOM 1351 C THR A 86 -7.468 -10.322 2.991 1.00 1.00 C ATOM 1352 O THR A 86 -6.869 -10.471 4.054 1.00 1.00 O ATOM 1353 CB THR A 86 -9.891 -10.879 3.215 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.210 -9.551 2.822 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.763 -10.947 4.737 1.00 1.00 C ATOM 0 H THR A 86 -8.814 -13.044 3.701 1.00 1.00 H new ATOM 0 HA THR A 86 -8.664 -11.262 1.485 1.00 1.00 H new ATOM 0 HB THR A 86 -10.682 -11.555 2.890 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.059 -9.283 3.232 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.707 -10.652 5.195 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.517 -11.966 5.036 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.973 -10.272 5.066 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.208 -9.330 2.141 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.176 -8.332 2.423 1.00 1.00 C ATOM 1365 C ILE A 87 -6.785 -6.933 2.497 1.00 1.00 C ATOM 1366 O ILE A 87 -7.593 -6.551 1.646 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.107 -8.371 1.329 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.457 -9.761 1.296 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.046 -7.303 1.606 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.269 -9.814 2.260 1.00 1.00 C ATOM 0 H ILE A 87 -7.695 -9.195 1.255 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.722 -8.565 3.386 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.569 -8.169 0.363 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.190 -10.520 1.570 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.124 -9.990 0.284 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.286 -7.334 0.825 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.515 -6.319 1.618 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.580 -7.495 2.573 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.817 -10.805 2.227 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.530 -9.068 1.968 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.613 -9.606 3.273 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.389 -6.180 3.522 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.897 -4.823 3.712 1.00 1.00 C ATOM 1384 C GLY A 88 -5.781 -3.792 3.563 1.00 1.00 C ATOM 1385 O GLY A 88 -4.599 -4.127 3.645 1.00 1.00 O ATOM 0 H GLY A 88 -5.721 -6.485 4.230 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.683 -4.620 2.984 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.348 -4.735 4.701 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.169 -2.538 3.342 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.205 -1.457 3.182 1.00 1.00 C ATOM 1391 C VAL A 89 -5.334 -0.453 4.323 1.00 1.00 C ATOM 1392 O VAL A 89 -6.440 -0.154 4.775 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.450 -0.741 1.855 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.124 -0.227 1.293 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -6.080 -1.711 0.854 1.00 1.00 C ATOM 0 H VAL A 89 -7.144 -2.248 3.270 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.202 -1.883 3.194 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.124 0.099 2.023 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.303 0.283 0.346 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.674 0.469 2.001 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.448 -1.066 1.130 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -6.253 -1.197 -0.091 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -5.408 -2.553 0.691 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -7.029 -2.075 1.248 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.202 0.068 4.783 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.207 1.043 5.869 1.00 1.00 C ATOM 1407 C ASP A 90 -3.171 2.133 5.610 1.00 1.00 C ATOM 1408 O ASP A 90 -2.247 1.948 4.817 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.903 0.349 7.197 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.881 -1.163 7.002 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -4.947 -1.737 6.854 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -2.798 -1.725 7.001 1.00 1.00 O ATOM 0 H ASP A 90 -3.276 -0.165 4.425 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.195 1.500 5.920 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -2.941 0.688 7.582 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.656 0.618 7.938 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.329 3.268 6.283 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.397 4.379 6.115 1.00 1.00 C ATOM 1419 C PHE A 91 -1.102 4.110 6.872 1.00 1.00 C ATOM 1420 O PHE A 91 -0.997 3.135 7.617 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.030 5.673 6.628 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.716 6.391 5.489 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.957 6.905 4.431 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.107 6.543 5.492 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.590 7.572 3.375 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.741 7.212 4.436 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.982 7.726 3.378 1.00 1.00 C ATOM 0 H PHE A 91 -4.086 3.443 6.944 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.170 4.481 5.054 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.749 5.450 7.416 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.265 6.314 7.067 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.883 6.787 4.429 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.692 6.145 6.308 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -3.005 7.968 2.558 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.814 7.331 4.439 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.470 8.241 2.564 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.117 4.982 6.677 1.00 1.00 N ATOM 1438 CA ALA A 92 1.170 4.829 7.347 1.00 1.00 C ATOM 1439 C ALA A 92 0.971 4.406 8.799 1.00 1.00 C ATOM 1440 O ALA A 92 0.101 4.929 9.495 1.00 1.00 O ATOM 1441 CB ALA A 92 1.943 6.148 7.299 1.00 1.00 C ATOM 0 H ALA A 92 -0.184 5.796 6.066 1.00 1.00 H new ATOM 0 HA ALA A 92 1.738 4.056 6.830 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.903 6.026 7.801 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.111 6.434 6.261 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.367 6.926 7.801 1.00 1.00 H new ATOM 1447 N LYS A 93 1.784 3.455 9.250 1.00 1.00 N ATOM 1448 CA LYS A 93 1.688 2.968 10.621 1.00 1.00 C ATOM 1449 C LYS A 93 0.245 2.614 10.964 1.00 1.00 C ATOM 1450 O LYS A 93 -0.532 3.472 11.383 1.00 1.00 O ATOM 1451 CB LYS A 93 2.198 4.037 11.590 1.00 1.00 C ATOM 1452 CG LYS A 93 3.701 4.236 11.387 1.00 1.00 C ATOM 1453 CD LYS A 93 4.233 5.215 12.436 1.00 1.00 C ATOM 1454 CE LYS A 93 5.606 5.731 12.004 1.00 1.00 C ATOM 1455 NZ LYS A 93 6.509 4.576 11.735 1.00 1.00 N ATOM 0 H LYS A 93 2.511 3.010 8.690 1.00 1.00 H new ATOM 0 HA LYS A 93 2.301 2.071 10.713 1.00 1.00 H new ATOM 0 HB2 LYS A 93 1.670 4.976 11.422 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.996 3.737 12.618 1.00 1.00 H new ATOM 0 HG2 LYS A 93 4.219 3.281 11.470 1.00 1.00 H new ATOM 0 HG3 LYS A 93 3.896 4.619 10.385 1.00 1.00 H new ATOM 0 HD2 LYS A 93 3.541 6.048 12.555 1.00 1.00 H new ATOM 0 HD3 LYS A 93 4.307 4.721 13.405 1.00 1.00 H new ATOM 0 HE2 LYS A 93 5.510 6.347 11.110 1.00 1.00 H new ATOM 0 HE3 LYS A 93 6.030 6.364 12.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 7.498 4.896 11.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 6.364 3.846 12.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 6.296 4.180 10.797 1.00 1.00 H new ATOM 1469 N SER A 94 -0.106 1.346 10.784 1.00 1.00 N ATOM 1470 CA SER A 94 -1.461 0.889 11.078 1.00 1.00 C ATOM 1471 C SER A 94 -1.803 1.138 12.543 1.00 1.00 C ATOM 1472 O SER A 94 -1.745 0.226 13.367 1.00 1.00 O ATOM 1473 CB SER A 94 -1.587 -0.602 10.768 1.00 1.00 C ATOM 1474 OG SER A 94 -0.447 -1.285 11.275 1.00 1.00 O ATOM 0 H SER A 94 0.522 0.620 10.439 1.00 1.00 H new ATOM 0 HA SER A 94 -2.158 1.449 10.454 1.00 1.00 H new ATOM 0 HB2 SER A 94 -2.495 -1.003 11.217 1.00 1.00 H new ATOM 0 HB3 SER A 94 -1.669 -0.756 9.692 1.00 1.00 H new ATOM 0 HG SER A 94 -0.357 -1.104 12.234 1.00 1.00 H new ATOM 1480 N ALA A 95 -2.161 2.378 12.860 1.00 1.00 N ATOM 1481 CA ALA A 95 -2.512 2.735 14.229 1.00 1.00 C ATOM 1482 C ALA A 95 -3.587 1.796 14.769 1.00 1.00 C ATOM 1483 O ALA A 95 -4.069 0.977 14.003 1.00 1.00 O ATOM 1484 CB ALA A 95 -3.019 4.177 14.279 1.00 1.00 C ATOM 1485 OXT ALA A 95 -3.913 1.912 15.938 1.00 1.00 O ATOM 0 H ALA A 95 -2.215 3.147 12.193 1.00 1.00 H new ATOM 0 HA ALA A 95 -1.620 2.642 14.849 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -3.279 4.436 15.305 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.239 4.849 13.922 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.901 4.275 13.646 1.00 1.00 H new TER 1491 ALA A 95